2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | L849-1743 |
| Compound Name: | 2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C22 H22 N6 O S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(c2cn(C)nc2c2ccccc2)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0925 |
| logD: | 3.0925 |
| logSw: | -3.3645 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.284 |
| InChI Key: | XKOOQGUAKHVLDY-UHFFFAOYSA-N |